(4-nitrophenyl)methyl (E)-4-chloranyl-3-methyl-2-[2-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-4-chloranyl-3-methyl-2-[2-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-4-chloro-3-methyl-2-[2-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]but-2-enoate CAS Name: (E)-4-chloro-3-methyl-2-[2-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azetidinyl]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-4-chloro-3-methyl-2-[2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]but-2-enoate Traditional Name: (E)-4-chloro-2-[2-keto-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CC(C2=O)NC(=O)CC3=CC=CS3)CCl

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2CC(C2=O)NC(=O)CC3=CC=CS3)/CCl

InChI

InChI=1S/C21H20ClN3O6S/c1-13(10-22)19(21(28)31-12-14-4-6-15(7-5-14)25(29)30)24-11-17(20(24)27)23-18(26)9-16-3-2-8-32-16/h2-8,17H,9-12H2,1H3,(H,23,26)/b19-13+